(4-methylsulfanylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[4-(methylthio)benzyl]isothiourea Formula: C13H20N2OS2 MolecularWeight: 284.4407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N=C(N)SCC1=CC=C(C=C1)SC

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H20N2OS2/c1-10(8-16-2)15-13(14)18-9-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15)/t10-/m1/s1